Geometry & MOs

Info

ID:

409040

PubChem CID:

135081814

Reduced:

Na3S3N5O12H18C30 (1)

Stoich.:

A3B3C5D12E18F30 (1)

Weight, g/mol:

739.034885

ΔHf, kcal/mol:

-352.08

Dipole, Da:

59.75

IP(EA), eV:

 -7.34(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3E)-7-amino-3-[[(6E)-6-[(8-hydroxy-6-sulfonaphthalen-2-yl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]hydrazinylidene]-4-oxonaphthalene-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC(=CC2=C(C=C(C=C21)S(=O)(=O)[O-])O)N/N=C\3/C(=CC4=C(C3=O)C=CC(=C4)N/N=C\5/C(=CC6=C(C5=O)C=CC(=C6)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

DOS

IR

Vibrations